Molecule:100756: Difference between revisions

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molecule
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M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C(C1C(C)=CC(C)=CC=1C)1C=C2CP([Ir+3]([H-])([Cl-])34P(C5CCCCC5)(C5CCCCC5)CC5C=C(C6C(C)=CC(C)=CC=6C)C=C(C(C=1)=N23)N=54)(C1CCCCC1)C1CCCCC1.[B-](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
|smiles=C(C1C(C)=CC(C)=CC=1C)1C=C2CP([Ir+3]([H-])([Cl-])34P(C5CCCCC5)(C5CCCCC5)CC5C=C(C6C(C)=CC(C)=CC=6C)C=C(C(C=1)=N23)N=54)(C1CCCCC1)C1CCCCC1.[B-](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
|inchi=1S/C54H74N2P2.C24H20B.ClH.Ir.H/c1-37-27-39(3)53(40(4)28-37)43-31-45(35-57(47-19-11-7-12-20-47)48-21-13-8-14-22-48)55-51(33-43)52-34-44(54-41(5)29-38(2)30-42(54)6)32-46(56-52)36-58(49-23-15-9-16-24-49)50-25-17-10-18-26-50;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h27-34,47-50H,7-26,35-36H2,1-6H3;1-20H;1H;;/q;-1;;+3;-1/p-1
|inchi=1S/C54H74N2P2.C24H20B.ClH.Ir.H/c1-37-27-39(3)53(40(4)28-37)43-31-45(35-57(47-19-11-7-12-20-47)48-21-13-8-14-22-48)55-51(33-43)52-34-44(54-41(5)29-38(2)30-42(54)6)32-46(56-52)36-58(49-23-15-9-16-24-49)50-25-17-10-18-26-50;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h27-34,47-50H,7-26,35-36H2,1-6H3;1-20H;1H;;/q;-1;;+3;-1/p-1

Revision as of 09:16, 19 May 2023

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass 1362.653783844
Molecular formula C78H97BClIrN2P2
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

[Ir(mesbpy-(PCy2)2)][BPh4]


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